Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 7107676
7107675 << 7107676 >> 7107677Preview
|
Coordinates |
7107676.cif |
Structure parameters
| Chemical name | 1,1'-(2-Methoxy-4-(4-nitrophenyl)-1-phenyl-1,2,3,4-tetrahydropyridine-3,5-diyl) diethanone |
| Formula | - C22 H22 N2 O5 - |
| Calculated formula | - C22 H22 N2 O5 - |
| Title of publication | A multicomponent formal [1+2+2+1]-cycloaddition for the Synthesis of dihydropyridines |
| Authors of publication | P. Ricardo Girling; Andrei Batsanov; Hong Shen; Andrew Whiting |
| Journal of publication | Chem.Commun. |
| Year of publication | 2012 |
| Journal volume | 48 |
| Pages of publication | 4893 - 4895 |
| a | 11.9899 ± 0.0006 Å |
| b | 15.0103 ± 0.0008 Å |
| c | 10.9303 ± 0.0006 Å |
| α | 90° |
| β | 98.151 ± 0.01° |
| γ | 90° |
| Cell volume | 1947.28 ± 0.18 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.0524 |
| Residual factor for observed reflections | 0.0402 |
| Weighted residual factors for the observed reflections | 0.1102 |
| Weighted residual factors for all reflections included in the refinement | 0.1177 |
| Goodness-of-fit parameter for observed reflections | 1.062 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Diffraction radiation X-ray symbol | K-L~3~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |